ethyl 3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]-3-(3,5-dimethylphenyl)propanoate

Systemtic Name: ethyl 3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]-3-(3,5-dimethylphenyl)propanoate Openeye Name: ethyl 3-(3,5-dimethylphenyl)-3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]propanoate CAS Name: 3-[[2-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3,5-dimethylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-3-(3,5-dimethylphenyl)propanoate Traditional Name: 3-(3,5-dimethylphenyl)-3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]propionic acid ethyl ester Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC(=C1)C)C)NC(=O)CNC(=O)C2=CC(=CC=C2)N=C(N)N

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC(=C1)C)C)NC(=O)CNC(=O)C2=CC(=CC=C2)N=C(N)N

InChI

InChI=1S/C23H29N5O4/c1-4-32-21(30)12-19(17-9-14(2)8-15(3)10-17)28-20(29)13-26-22(31)16-6-5-7-18(11-16)27-23(24)25/h5-11,19H,4,12-13H2,1-3H3,(H,26,31)(H,28,29)(H4,24,25,27)